Reaction Details Report a problem with these data
Target
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Ligand
BDBM66329
Substrate
n/a
Meas. Tech.
Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay
IC50
8310±n/a nM
Citation
 PubChem, PC Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay PubChem Bioassay (2011)[AID] 
Target
Name:
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
109731.64
Organism:
Plasmodium falciparum 3D7
Description:
gi_12381848
Residue:
950
Sequence:
MEYETSLKCLDEIRCVNNVKYMETEDLTDFNKKSAYYICKEIYEKQLSNENGYVVIGLSGGKTPIDVYKNMCAIKDIKIDKNKLIFFIIDERYKNDDHKFSNYNNIKFLFDELNINKETQLYKPDTKKDLVSCIRDYNEQIKSMIEKYKKIDIVILGMGSDFHIASLFPNVYYNIYMNNYQNNYIYEDNETIRSLNADNNVNLSLLNEQVYFTTTNNFDVRKRITVSLNLLSNSTSKIFLLNTADKLNLWKNMLLNFYVNPNYNLYPAFKMIDSSNTTVIACGHKNYSKMLEDLYVQKDEALSPISNNNVENKNELLTIVIFGCSGDLAKKKIYPALFKLFCNNLLPKNIIIIGFARTGQDFESFFNKIAIYLKISLNSYKNLSVFEKAERLNSFKSKCRYFIGNYLSPESFENFDVYITQEERIALGCCGQKGNEKHKQVNVTSQFPNNHTSINIINNIDNGCESPMLTDSPKRYPCSSSYSSTSGTAVCPYSSQHDVKPSNNGCPYLSSQANTSDSSGCPYISYHTNKSGHLGCPYTITRMLYLALPPHVFVSTLQNYKKYCLNKNRINKILLEKPFGKDLESFKILSKQILETFPEKNIYRIDHYLGKDMVSGLLKLKFTNIFLLSLMNRHFIKCIKITLKETKGVYGRGQYFDPYGIIRDVMQNHMLQLLALITMEHPTDLNDKSIQNEKIKILKSIASIKLEDTVIGQYVKSNNDDTNNNINSNISENASIDKSKINHSYHDDPHVDPNSITPTFCACVLYINSINWHGVPIILKAGKGLNNDICEIKIQFHNIMGSSDESMYNNEFVIILQPVEGIYLKLMIKKMGSEEMEEVQLNLSLNENNNKAYVPEAYETLLSECYKGYKRKFISDEELYESWRIFTPLLNELQEKHIKPLSYPFGSSGPQEAYDLVRKYYNYGKNYATTAKFCRKSSYYDDSLFDNMRE
  
Inhibitor
Name:
BDBM66329
Synonyms:
2-[1-[(Z)-1-(2-chlorophenyl)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2-[1-[(Z)-1-(2-chlorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]-2-pyridinylidene]propanedinitrile | 2-[1-[(Z)-1-(2-chlorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2-[1-[(Z)-1-benzoyl-2-(2-chlorophenyl)vinyl]-2-pyridylidene]malononitrile | 2-{1-[(Z)-1-Benzoyl-2-(2-chloro-phenyl)-vinyl]-1H-pyridin-2-ylidene}-malononitrile | MLS000554390 | SMR000146707 | cid_5797751
Type:
Small organic molecule
Emp. Form.:
C23H14ClN3O
Mol. Mass.:
383.83
SMILES:
Clc1ccccc1\C=C(/N1C=CC=CC1=C(C#N)C#N)C(=O)c1ccccc1 |c:11,13|
Structure:
Search PDB for entries with ligand similarity: